(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

C15H23N3O4S — CID 18727219

IUPAC(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2cc[nH]c2)CC1
InChIInChI=1S/C15H23N3O4S/c19-15(20)14-3-1-2-8-18(14)23(21,22)17-9-5-12(6-10-17)13-4-7-16-11-13/h4,7,11-12,14,16H,1-3,5-6,8-10H2,(H,19,20)/t14-/m1/s1
InChIKeyZLJYKLLZYQNZGV-CQSZACIVSA-N
MW341.43 g/mol
LogP1.38
Rot. Bonds4

About (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid (PubChem CID 18727219) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
PubChem CID18727219
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2cc[nH]c2)CC1
InChIInChI=1S/C15H23N3O4S/c19-15(20)14-3-1-2-8-18(14)23(21,22)17-9-5-12(6-10-17)13-4-7-16-11-13/h4,7,11-12,14,16H,1-3,5-6,8-10H2,(H,19,20)/t14-/m1/s1
InChIKeyZLJYKLLZYQNZGV-CQSZACIVSA-N
XLogP1.38
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
CID 116962969
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 60858592
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122
(2R)-4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 139899972
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 60858778
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
CID 131140796
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 60858772

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid (CID 18727219) is (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2cc[nH]c2)CC1.
What is the InChIKey of (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid?
The InChIKey is ZLJYKLLZYQNZGV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-15(20)14-3-1-2-8-18(14)23(21,22)17-9-5-12(6-10-17)13-4-7-16-11-13/h4,7,11-12,14,16H,1-3,5-6,8-10H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid?
(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18727219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).